4-ethyl-5-(6-methoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C13H20N4O — CID 66208598

IUPAC4-ethyl-5-(6-methoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1c1cncc(OC)n1
InChIInChI=1S/C13H20N4O/c1-3-11-10-5-14-4-9(10)8-17(11)12-6-15-7-13(16-12)18-2/h6-7,9-11,14H,3-5,8H2,1-2H3
InChIKeyKAMQLPAGRWGJGW-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.92
Rot. Bonds3

About 4-ethyl-5-(6-methoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

4-ethyl-5-(6-methoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66208598) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-ethyl-5-(6-methoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-ethyl-5-(6-methoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66208598
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-ethyl-5-(6-methoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1c1cncc(OC)n1
InChIInChI=1S/C13H20N4O/c1-3-11-10-5-14-4-9(10)8-17(11)12-6-15-7-13(16-12)18-2/h6-7,9-11,14H,3-5,8H2,1-2H3
InChIKeyKAMQLPAGRWGJGW-UHFFFAOYSA-N
XLogP0.92
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(6-methoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-ethyl-5-(6-methoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66208598) is 4-ethyl-5-(6-methoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-ethyl-5-(6-methoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-ethyl-5-(6-methoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCC1C2CNCC2CN1c1cncc(OC)n1.
What is the InChIKey of 4-ethyl-5-(6-methoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is KAMQLPAGRWGJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-11-10-5-14-4-9(10)8-17(11)12-6-15-7-13(16-12)18-2/h6-7,9-11,14H,3-5,8H2,1-2H3.
What are the key properties of 4-ethyl-5-(6-methoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-ethyl-5-(6-methoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 248.33 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(6-methoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66208598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).